KEGG:C05487 17alpha,21-Dihydroxypregnenolone ISISHOST03240423122D 1 1.00000 0.00000 4657 25 28 0 1 0 999 V2000 1.4034 -0.3414 0.0000 C 0 0 3 0 0 0 0 0 0 0.1069 -1.0690 0.0000 C 0 0 3 0 0 0 0 0 0 1.4172 1.1172 0.0000 C 0 0 3 0 0 0 0 0 0 2.7897 -0.7828 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1655 -0.3414 0.0000 C 0 0 3 0 0 0 0 0 0 0.1069 -2.5517 0.0000 C 0 0 0 0 0 0 0 0 0 2.8069 1.5586 0.0000 C 0 0 2 0 0 0 0 0 0 0.1069 1.8621 0.0000 C 0 0 0 0 0 0 0 0 0 1.4207 2.6621 0.0000 C 0 0 0 0 0 0 0 0 0 3.6207 0.4034 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4552 -1.0690 0.0000 C 0 0 3 0 0 0 0 0 0 -1.1655 1.1310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1655 -3.2793 0.0000 C 0 0 0 0 0 0 0 0 0 3.4379 2.8966 0.0000 C 0 0 0 0 0 0 0 0 0 4.1207 1.2276 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4690 -2.5276 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7276 -0.3414 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4552 0.4034 0.0000 C 0 0 0 0 0 0 0 0 0 4.8966 3.0345 0.0000 C 0 0 0 0 0 0 0 0 0 2.5897 4.1034 0.0000 O 0 0 0 0 0 0 0 0 0 -3.7414 -3.2586 0.0000 C 0 0 0 0 0 0 0 0 0 -5.0172 -1.0690 0.0000 C 0 0 0 0 0 0 0 0 0 5.9276 2.0035 0.0000 O 0 0 0 0 0 0 0 0 0 -5.0310 -2.5276 0.0000 C 0 0 3 0 0 0 0 0 0 -6.3483 -3.2586 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 3 9 1 0 0 0 4 10 1 0 0 0 5 11 1 0 0 0 5 12 1 0 0 0 6 13 1 0 0 0 7 14 1 0 0 0 7 15 1 6 0 0 11 16 1 0 0 0 11 17 1 0 0 0 11 18 1 0 0 0 14 19 1 0 0 0 14 20 2 0 0 0 16 21 1 0 0 0 17 22 1 0 0 0 19 23 1 0 0 0 21 24 1 0 0 0 24 25 1 0 0 0 7 10 1 0 0 0 8 12 1 0 0 0 13 16 2 0 0 0 22 24 1 0 0 0 M END